Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"
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Nov 12, 2022 - Jupyter Notebook
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diffdock
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Analysis toolkit for AlphaFold3 biomolecular complex predictions (Protein-DNA, Protein-RNA, Protein-Ligand). Parses PAE error matrices, SASA, and interface binding energies.
python bioinformatics structural-biology pdb molecular-docking diffdock protein-dna alphafold3 protein-rna
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Aug 8, 2026 - Python
Lightweight AI drug virtual screening platform for biologic industry. Nearly 20 years of expertise in biopharma R&D, manufacturing, quality and regulatory affairs.
bioinformatics protein-structure drug-discovery virtual-screening molecular-docking diffdock esmfold
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Mar 22, 2026 - Python
STRAND: Structure Refinement of RNA-Protein Complexes via Diffusion
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Sep 23, 2025 - Python
Blinded, scaffold-split benchmark of AI docking vs classical docking on M. tuberculosis InhA
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Sep 7, 2026 - Python
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